Faber, Bart (2025) Modelling of the Fragility of Compleximers with varying Bead Sizes Using Molecular Dynamics Simulations. Bachelor's Thesis, Applied Physics.
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Abstract
Compleximers are a class of polyelectrolyte complexes with a hydrophobic side chain. It was found in a yet to be released paper that compleximers are strong glass formers. This would make compleximers the first strong glass former using electrostatic interactions. Preliminary coarse-grained molecular dynamics (MD) simulations contradict this statement and predict that compleximers are fragile glass formers. We refine these coarse-grained MD simulations by introducing a variable side chain bead size. The fragility was analysed through the use of Angell plots. We find that a decrease in the size of the side chain beads generally leads to a stronger glass. The opposite effects of an increase in the size of the side chain beads leading to a more fragile glass was not observed. Although the effect of the fragility change is modest, our findings provide a direction for future research to continue to uncover the origin of the fragility for compleximers.
| Item Type: | Thesis (Bachelor's Thesis) |
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| Supervisor name: | Giuntoli, A. and Parisi, D. |
| Degree programme: | Applied Physics |
| Thesis type: | Bachelor's Thesis |
| Language: | English |
| Date Deposited: | 09 Jul 2025 10:27 |
| Last Modified: | 09 Jul 2025 10:27 |
| URI: | https://fse.studenttheses.ub.rug.nl/id/eprint/35993 |
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